Registration Dossier
Registration Dossier
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EC number: 239-415-9 | CAS number: 15396-00-6
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached QMRF/QPRF
- Principles of method if other than guideline:
- The method has been developed specifically for organosilicon compounds. It is a linear regression based model. The descriptors are the log Kow and an indicator variable for the presence of an amine. See QMRF and QPRF for further details.
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- -0.6 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Predicted for the silanol hydrolysis product 3 -aminopropylsilanetriol
- Conclusions:
- A predicted log Koc value of -0.6 at 20°C and pH 7 was determined for the silanol hydrolysis product of the submission substance using a relevant estimation method. The result is considered to be reliable.
- Endpoint:
- adsorption / desorption: screening
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of this substance is related to this parameter
Referenceopen allclose all
Description of key information
Adsorption/desorption:
log Koc [3-(trimethoxysilyl)propyl isocyanate]: not relevant due to very rapid hydrolysis in contact with water
log Koc [3-(trimethoxysilyl)propylamine: not relevant due to rapid hydrolysis in contact with water
log Koc [3-aminopropylsilanetriol]: -0.6 at 20°C and pH 7 (QSAR)
Key value for chemical safety assessment
Additional information
3-(Trimethoxysilyl)propyl isocyanate hydrolyses very rapidly (half-life <5 min at pH 7 for the hydrolysis of the isocyanate group) to form 3-(trimethoxysilyl)propylamine (intermediate hydrolysis product) and carbon dioxide. The intermediate hydrolysis product is expected to hydrolyse rapidly (2.6 hours at pH 7) to the final hydrolysis product 3-aminopropylsilanetriol and methanol. In view of these hydrolysis rates, risk assessment for the submission substance is carried out for the silanol hydrolysis product 3-aminopropylsilanetriol and methanol.
The log Koc of the silanol hydrolysis product, 3-aminopropylsilanetriol has been predicted using a validated QSAR estimation method to be -0.6 at 20°C and pH 7.
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